3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol

C15H17N5O — CID 657095

IUPAC3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
SMILESCC(C)(C)n1nc(-c2cccc(O)c2)c2c(N)ncnc21
InChIInChI=1S/C15H17N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-5-4-6-10(21)7-9/h4-8,21H,1-3H3,(H2,16,17,18)
InChIKeyCPLGZXQPPYRNRC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.54
Rot. Bonds1

About 3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol

3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol (PubChem CID 657095) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol.

Molecular Properties

Compound Name3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
PubChem CID657095
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
SMILESCC(C)(C)n1nc(-c2cccc(O)c2)c2c(N)ncnc21
InChIInChI=1S/C15H17N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-5-4-6-10(21)7-9/h4-8,21H,1-3H3,(H2,16,17,18)
InChIKeyCPLGZXQPPYRNRC-UHFFFAOYSA-N
XLogP2.54
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol?
The IUPAC name of 3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol (CID 657095) is 3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol.
What is the SMILES notation for 3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol?
The canonical SMILES for 3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol is CC(C)(C)n1nc(-c2cccc(O)c2)c2c(N)ncnc21.
What is the InChIKey of 3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol?
The InChIKey is CPLGZXQPPYRNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-5-4-6-10(21)7-9/h4-8,21H,1-3H3,(H2,16,17,18).
What are the key properties of 3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol?
3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol has a molecular weight of 283.33 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol is sourced from PubChem (CID 657095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).